4-氨基水杨酸甲酯
TL;DR: 4-氨基水杨酸甲酯 (CAS 4136-97-4) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基水杨酸甲酯
methyl 4-amino-2-hydroxybenzoate
Also Known As: Methyl 4-Amino-2-hydroxybenzoate, METHYL 4-AMINOSALICYLATE, Methyl p-aminosalicylate, Pas methyl ester, p-Aminosalicylic acid methyl ester
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 4136-97-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)N)O |
| InChIKey | QQOXBFUTRLDXDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氨基水杨酸甲酯 (CAS 4136-97-4), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: methyl 4-amino-2-hydroxybenzoate.
Chemical Property Profile of 4-氨基水杨酸甲酯
Property Insights of 4-氨基水杨酸甲酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氨基水杨酸甲酯. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氨基水杨酸甲酯. Following Lipinski's Rule of Five, 4-氨基水杨酸甲酯 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-氨基水杨酸甲酯?
The CAS number of 4-氨基水杨酸甲酯 is 4136-97-4.
What is the molecular formula of 4-氨基水杨酸甲酯?
The molecular formula of 4-氨基水杨酸甲酯 is C8H9NO3.
What is the molecular weight of 4-氨基水杨酸甲酯?
The molecular weight of 4-氨基水杨酸甲酯 is 167.06 g/mol.
Where can I buy 4-氨基水杨酸甲酯?
You can request a quote for 4-氨基水杨酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基水杨酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基水杨酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.